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PDB: 6 results

8W4S
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BU of 8w4s by Molmil
Crystal structure of PDE5A in complex with CVT-313
Descriptor: 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ZINC ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2023-08-24
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
8W4T
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BU of 8w4t by Molmil
Crystal structure of PDE5A in complex with a novel inhibitor
Descriptor: 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one, MAGNESIUM ION, ZINC ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2023-08-24
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
8K4H
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BU of 8k4h by Molmil
Crystal structure of PDE4D complexed with benzbromarone
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, ZINC ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2023-07-18
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
8K4C
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BU of 8k4c by Molmil
Crystal structure of PDE4D complexed with ethaverine hydrochloride
Descriptor: 1,2-ETHANEDIOL, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline, MAGNESIUM ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2023-07-17
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
8W4Q
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BU of 8w4q by Molmil
Crystal structure of PDE4D complexed with CX-4945
Descriptor: 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, MAGNESIUM ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2023-08-24
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
8W4R
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BU of 8w4r by Molmil
Crystal structure of PDE4D complexed with CVT-313
Descriptor: 1,2-ETHANEDIOL, 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2023-08-24
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023

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